Computer-assisted interpretation of 1H-n.m.r. spectra in the analysis of the structure of oligosaccharides.
A computer program that can be implemented on IBM compatible microcomputers has been used to interpret the 1H-n.m.r. spectra of a series of mucin-derived alditols. The program compares the chemical shifts of resonances in the spectra of unknown oligosaccharides with those in a standard library constructed from data in the literature. The program then compiles the identified sequences into possible structures, which, together with a second component of the program from which the individual assignments of chemical shifts can be made, facilitates ready access to the literature data for final confirmation of the structures.
Hounsell
E F
EF
Section of Glycoconjugate Research, Clinical Research Centre, Harrow, Middlesex, Great Britain.
Wright
D J
DJ
D002240:Carbohydrate Sequence; D009682:Magnetic Resonance Spectroscopy; D008969:Molecular Sequence Data; D015394:Molecular Structure; D009844:Oligosaccharides / Q000737:chemistry*; D012984:Software
D009844:Oligosaccharides